BLXA4

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LXE89WJ787

Structure
InChI Key HEDVTGFTYROYFE-RREUNBNVSA-N
Smile CCCCC[C@@H](O)/C=C/c1ccccc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O
InChI
InChI=1S/C22H32O5/c1-2-3-4-10-19(23)15-13-17-8-5-6-9-18(17)14-16-21(25)20(24)11-7-12-22(26)27/h5-6,8-9,13-16,19-21,23-25H,2-4,7,10-12H2,1H3,(H,26,27)/b15-13+,16-14+/t19-,20+,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32O5
Molecular Weight 376.49
AlogP 3.63
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 13.0
Polar Surface Area 97.99
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Inflammation 1 D007249 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 864516-86-9
ChEMBL CHEMBL4297266
DrugBank DB12133
FDA SRS LXE89WJ787
PubChem 58185197
SureChEMBL SCHEMBL10000537
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